ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H21NO5S MolecularWeight: 435.49224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H21NO5S/c1-3-28-24(27)22-18(17-8-4-15(2)5-9-17)13-31-23(22)25-21(26)11-7-16-6-10-19-20(12-16)30-14-29-19/h4-13H,3,14H2,1-2H3,(H,25,26)